1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile

C13H20N2 — CID 166943161

IUPAC1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile
SMILESC/C=C\C1=C(C(C)C)C(C#N)N(C)C1C
InChIInChI=1S/C13H20N2/c1-6-7-11-10(4)15(5)12(8-14)13(11)9(2)3/h6-7,9-10,12H,1-5H3/b7-6-
InChIKeyKDXFDLXIYVJXRH-SREVYHEPSA-N
MW204.32 g/mol
LogP2.74
Rot. Bonds2

About 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile

1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile (PubChem CID 166943161) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile
PubChem CID166943161
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile
SMILESC/C=C\C1=C(C(C)C)C(C#N)N(C)C1C
InChIInChI=1S/C13H20N2/c1-6-7-11-10(4)15(5)12(8-14)13(11)9(2)3/h6-7,9-10,12H,1-5H3/b7-6-
InChIKeyKDXFDLXIYVJXRH-SREVYHEPSA-N
XLogP2.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile (CID 166943161) is 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile is C/C=C\C1=C(C(C)C)C(C#N)N(C)C1C.
What is the InChIKey of 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile?
The InChIKey is KDXFDLXIYVJXRH-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-7-11-10(4)15(5)12(8-14)13(11)9(2)3/h6-7,9-10,12H,1-5H3/b7-6-.
What are the key properties of 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile?
1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile has a molecular weight of 204.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-propan-2-yl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-2-carbonitrile is sourced from PubChem (CID 166943161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).